3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C17H11BrF2N2O2 — CID 50805617

IUPAC3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H11BrF2N2O2/c1-9-15(16(22-24-9)10-2-4-11(18)5-3-10)17(23)21-14-7-6-12(19)8-13(14)20/h2-8H,1H3,(H,21,23)
InChIKeyVOBNKKOOWREJOI-UHFFFAOYSA-N
MW393.19 g/mol
LogP4.94
Rot. Bonds3

About 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805617) has the molecular formula C17H11BrF2N2O2 and a molecular weight of 393.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805617
Molecular FormulaC17H11BrF2N2O2
Molecular Weight393.19 g/mol
Exact Mass392.00
IUPAC Name3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H11BrF2N2O2/c1-9-15(16(22-24-9)10-2-4-11(18)5-3-10)17(23)21-14-7-6-12(19)8-13(14)20/h2-8H,1H3,(H,21,23)
InChIKeyVOBNKKOOWREJOI-UHFFFAOYSA-N
XLogP4.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052740
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 17026519
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166108572
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17414759
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805488
3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805541
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 35998393
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
3-(2-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1259716

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805617) is 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VOBNKKOOWREJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N2O2/c1-9-15(16(22-24-9)10-2-4-11(18)5-3-10)17(23)21-14-7-6-12(19)8-13(14)20/h2-8H,1H3,(H,21,23).
What are the key properties of 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.19 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).